methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate

C12H9ClFNO4S2 — CID 2809663

IUPACmethyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C12H9ClFNO4S2/c1-19-12(16)11-9(13)6-10(20-11)21(17,18)15-8-4-2-7(14)3-5-8/h2-6,15H,1H3
InChIKeyFOOSOSNYXPOSGA-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.13
Rot. Bonds4

About methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 2809663) has the molecular formula C12H9ClFNO4S2 and a molecular weight of 349.79 g/mol. Its IUPAC name is methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID2809663
Molecular FormulaC12H9ClFNO4S2
Molecular Weight349.79 g/mol
Exact Mass348.96
IUPAC Namemethyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C12H9ClFNO4S2/c1-19-12(16)11-9(13)6-10(20-11)21(17,18)15-8-4-2-7(14)3-5-8/h2-6,15H,1H3
InChIKeyFOOSOSNYXPOSGA-UHFFFAOYSA-N
XLogP3.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate (CID 2809663) is methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl.
What is the InChIKey of methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is FOOSOSNYXPOSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4S2/c1-19-12(16)11-9(13)6-10(20-11)21(17,18)15-8-4-2-7(14)3-5-8/h2-6,15H,1H3.
What are the key properties of methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 349.79 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 2809663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).